[5-fluoro-4-(2,3,5-trimethylphenoxy)pyrimidin-2-yl]hydrazine

C13H15FN4O — CID 80916575

IUPAC[5-fluoro-4-(2,3,5-trimethylphenoxy)pyrimidin-2-yl]hydrazine
SMILESCc1cc(C)c(C)c(Oc2nc(NN)ncc2F)c1
InChIInChI=1S/C13H15FN4O/c1-7-4-8(2)9(3)11(5-7)19-12-10(14)6-16-13(17-12)18-15/h4-6H,15H2,1-3H3,(H,16,17,18)
InChIKeySPGMAMQGJFAZMS-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.62
Rot. Bonds3

About [5-fluoro-4-(2,3,5-trimethylphenoxy)pyrimidin-2-yl]hydrazine

[5-fluoro-4-(2,3,5-trimethylphenoxy)pyrimidin-2-yl]hydrazine (PubChem CID 80916575) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is [5-fluoro-4-(2,3,5-trimethylphenoxy)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-fluoro-4-(2,3,5-trimethylphenoxy)pyrimidin-2-yl]hydrazine
PubChem CID80916575
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name[5-fluoro-4-(2,3,5-trimethylphenoxy)pyrimidin-2-yl]hydrazine
SMILESCc1cc(C)c(C)c(Oc2nc(NN)ncc2F)c1
InChIInChI=1S/C13H15FN4O/c1-7-4-8(2)9(3)11(5-7)19-12-10(14)6-16-13(17-12)18-15/h4-6H,15H2,1-3H3,(H,16,17,18)
InChIKeySPGMAMQGJFAZMS-UHFFFAOYSA-N
XLogP2.62
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-5-methyl-4-(2,3,5-trimethylphenoxy)pyrimidin-2-amine
CID 80881682
4-(3,5-dimethylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 80864146
[4-(4-bromo-2-propan-2-ylphenoxy)-5-fluoropyrimidin-2-yl]hydrazine
CID 115403150
(5-fluoro-4-propoxypyrimidin-2-yl)hydrazine
CID 80911557
2-fluoro-6-(5-fluoro-2-hydrazinylpyrimidin-4-yl)oxybenzonitrile
CID 80920318
[4-(2,4-dichlorophenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 80915153
[5-fluoro-4-(2-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80920840
[2-methyl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-yl]hydrazine
CID 80916646
[4-(3-bromo-4-fluorophenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 83237844
[5-chloro-4-(2-chloro-4-fluorophenoxy)pyrimidin-2-yl]hydrazine
CID 80918493
[5-fluoro-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-yl]hydrazine
CID 80922585
[5-fluoro-4-(2-methylbutan-2-yloxy)pyrimidin-2-yl]hydrazine
CID 80909725

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-4-(2,3,5-trimethylphenoxy)pyrimidin-2-yl]hydrazine?
The IUPAC name of [5-fluoro-4-(2,3,5-trimethylphenoxy)pyrimidin-2-yl]hydrazine (CID 80916575) is [5-fluoro-4-(2,3,5-trimethylphenoxy)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-fluoro-4-(2,3,5-trimethylphenoxy)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-fluoro-4-(2,3,5-trimethylphenoxy)pyrimidin-2-yl]hydrazine is Cc1cc(C)c(C)c(Oc2nc(NN)ncc2F)c1.
What is the InChIKey of [5-fluoro-4-(2,3,5-trimethylphenoxy)pyrimidin-2-yl]hydrazine?
The InChIKey is SPGMAMQGJFAZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-7-4-8(2)9(3)11(5-7)19-12-10(14)6-16-13(17-12)18-15/h4-6H,15H2,1-3H3,(H,16,17,18).
What are the key properties of [5-fluoro-4-(2,3,5-trimethylphenoxy)pyrimidin-2-yl]hydrazine?
[5-fluoro-4-(2,3,5-trimethylphenoxy)pyrimidin-2-yl]hydrazine has a molecular weight of 262.29 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-4-(2,3,5-trimethylphenoxy)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80916575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).